2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine

C16H21N7S — CID 22282967

IUPAC2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine
SMILESCC1CCN(c2ncc(N)s2)CC1CNc1ncnc2[nH]ccc12
InChIInChI=1S/C16H21N7S/c1-10-3-5-23(16-20-7-13(17)24-16)8-11(10)6-19-15-12-2-4-18-14(12)21-9-22-15/h2,4,7,9-11H,3,5-6,8,17H2,1H3,(H2,18,19,21,22)
InChIKeyHDULWFGRJJRLDI-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine

2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine (PubChem CID 22282967) has the molecular formula C16H21N7S and a molecular weight of 343.46 g/mol. Its IUPAC name is 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine
PubChem CID22282967
Molecular FormulaC16H21N7S
Molecular Weight343.46 g/mol
Exact Mass343.16
IUPAC Name2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine
SMILESCC1CCN(c2ncc(N)s2)CC1CNc1ncnc2[nH]ccc12
InChIInChI=1S/C16H21N7S/c1-10-3-5-23(16-20-7-13(17)24-16)8-11(10)6-19-15-12-2-4-18-14(12)21-9-22-15/h2,4,7,9-11H,3,5-6,8,17H2,1H3,(H2,18,19,21,22)
InChIKeyHDULWFGRJJRLDI-UHFFFAOYSA-N
XLogP2.57
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3aR,6aS)-5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2-methyl-1,3-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 89664057
US10851116, Example 25
CID 135250661
US11447505, Example E153
CID 148813575
4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 136522634
4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine
CID 164513191
4-[4-(1H-imidazol-2-yl)-1-piperidinyl]-2-methylthieno[2,3-d]pyrimidine
CID 70765020
4-methyl-2-[(2S)-2-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 95336179
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 97435855
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 139010876
(2S)-N-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 164642253
4-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 171359684
4-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 177661722

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine?
The IUPAC name of 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine (CID 22282967) is 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine is CC1CCN(c2ncc(N)s2)CC1CNc1ncnc2[nH]ccc12.
What is the InChIKey of 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine?
The InChIKey is HDULWFGRJJRLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7S/c1-10-3-5-23(16-20-7-13(17)24-16)8-11(10)6-19-15-12-2-4-18-14(12)21-9-22-15/h2,4,7,9-11H,3,5-6,8,17H2,1H3,(H2,18,19,21,22).
What are the key properties of 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine?
2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine has a molecular weight of 343.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 22282967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).