4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole

C18H26N4OS — CID 124818839

IUPAC4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CC[C@H](OCC3CC3)[C@H]2Cc2cnn(C)c2)cs1
InChIInChI=1S/C18H26N4OS/c1-13-20-16(12-24-13)10-22-6-5-18(23-11-14-3-4-14)17(22)7-15-8-19-21(2)9-15/h8-9,12,14,17-18H,3-7,10-11H2,1-2H3/t17-,18+/m1/s1
InChIKeyOTYJABQLXYABOW-MSOLQXFVSA-N
MW346.50 g/mol
LogP2.80
Rot. Bonds7

About 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 124818839) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID124818839
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CC[C@H](OCC3CC3)[C@H]2Cc2cnn(C)c2)cs1
InChIInChI=1S/C18H26N4OS/c1-13-20-16(12-24-13)10-22-6-5-18(23-11-14-3-4-14)17(22)7-15-8-19-21(2)9-15/h8-9,12,14,17-18H,3-7,10-11H2,1-2H3/t17-,18+/m1/s1
InChIKeyOTYJABQLXYABOW-MSOLQXFVSA-N
XLogP2.80
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methylpyridazine
CID 124816023
(3aR,6aS)-1-[(1-methylpyrazol-4-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124817753
4-[[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid
CID 155850176
1-[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 124820868
2-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155849479
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 97470239
(3aR,7aR)-4-(1-methylpyrazol-4-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 124814993
[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 97470767
[(2S,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131690005
4-[[(2S,3R)-3-(2-methoxyethoxy)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 97470279
(3aS,5R,7aS)-5-(cyclopropylmethoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461172
2-[[(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]-6-methylpyridine
CID 97470389

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 124818839) is 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CC[C@H](OCC3CC3)[C@H]2Cc2cnn(C)c2)cs1.
What is the InChIKey of 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is OTYJABQLXYABOW-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13-20-16(12-24-13)10-22-6-5-18(23-11-14-3-4-14)17(22)7-15-8-19-21(2)9-15/h8-9,12,14,17-18H,3-7,10-11H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 346.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 124818839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).