(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine

C17H24N4OS — CID 97332909

IUPAC(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
SMILESCc1nn(C)c(C)c1[C@H]1COCCN1Cc1csc(C2CC2)n1
InChIInChI=1S/C17H24N4OS/c1-11-16(12(2)20(3)19-11)15-9-22-7-6-21(15)8-14-10-23-17(18-14)13-4-5-13/h10,13,15H,4-9H2,1-3H3/t15-/m1/s1
InChIKeyVHNAWZBOITVFKM-OAHLLOKOSA-N
MW332.47 g/mol
LogP2.94
Rot. Bonds4

About (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine

(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine (PubChem CID 97332909) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
PubChem CID97332909
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
SMILESCc1nn(C)c(C)c1[C@H]1COCCN1Cc1csc(C2CC2)n1
InChIInChI=1S/C17H24N4OS/c1-11-16(12(2)20(3)19-11)15-9-22-7-6-21(15)8-14-10-23-17(18-14)13-4-5-13/h10,13,15H,4-9H2,1-3H3/t15-/m1/s1
InChIKeyVHNAWZBOITVFKM-OAHLLOKOSA-N
XLogP2.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine with MolForge

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Related Compounds

(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 99777440
3-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-4-methylmorpholine
CID 138039322
(3R)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 99830619
3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile
CID 97332910
2-[(3R)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699245
(4S,5R)-4-[[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]methyl]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 128965031
3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine
CID 138033328
3-[3,5-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-yl]-4-methylmorpholine
CID 138039335
(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 99830623
4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 154756493
2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine
CID 95979023
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95324636

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine?
The IUPAC name of (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine (CID 97332909) is (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine.
What is the SMILES notation for (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine?
The canonical SMILES for (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine is Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1csc(C2CC2)n1.
What is the InChIKey of (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine?
The InChIKey is VHNAWZBOITVFKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11-16(12(2)20(3)19-11)15-9-22-7-6-21(15)8-14-10-23-17(18-14)13-4-5-13/h10,13,15H,4-9H2,1-3H3/t15-/m1/s1.
What are the key properties of (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine?
(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine has a molecular weight of 332.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 97332909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).