6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide

C14H16ClN5O2S — CID 118611172

IUPAC6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
SMILESO=C(NC[C@H](O)CN1CCc2ncsc2C1)c1cc(Cl)ncn1
InChIInChI=1S/C14H16ClN5O2S/c15-13-3-11(17-7-18-13)14(22)16-4-9(21)5-20-2-1-10-12(6-20)23-8-19-10/h3,7-9,21H,1-2,4-6H2,(H,16,22)/t9-/m0/s1
InChIKeyKIFCNKSAELYDLA-VIFPVBQESA-N
MW353.84 g/mol
LogP0.74
Rot. Bonds5

About 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide

6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide (PubChem CID 118611172) has the molecular formula C14H16ClN5O2S and a molecular weight of 353.84 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
PubChem CID118611172
Molecular FormulaC14H16ClN5O2S
Molecular Weight353.84 g/mol
Exact Mass353.07
IUPAC Name6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
SMILESO=C(NC[C@H](O)CN1CCc2ncsc2C1)c1cc(Cl)ncn1
InChIInChI=1S/C14H16ClN5O2S/c15-13-3-11(17-7-18-13)14(22)16-4-9(21)5-20-2-1-10-12(6-20)23-8-19-10/h3,7-9,21H,1-2,4-6H2,(H,16,22)/t9-/m0/s1
InChIKeyKIFCNKSAELYDLA-VIFPVBQESA-N
XLogP0.74
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611151
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 130268085
1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol
CID 118611156
potassium [6-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]carbamoyl]pyrimidin-4-yl]azanide
CID 156884819
6-chloro-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-4-carboxamide
CID 166672275
N-[(2S)-3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
CID 162012287
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 118553840
N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611090
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611250
N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 130267611
6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611252
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(3-methoxycyclobutyl)methyl]pyrimidine-4-carboxamide
CID 147633885

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide (CID 118611172) is 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide is O=C(NC[C@H](O)CN1CCc2ncsc2C1)c1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide?
The InChIKey is KIFCNKSAELYDLA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16ClN5O2S/c15-13-3-11(17-7-18-13)14(22)16-4-9(21)5-20-2-1-10-12(6-20)23-8-19-10/h3,7-9,21H,1-2,4-6H2,(H,16,22)/t9-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide?
6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide has a molecular weight of 353.84 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 118611172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).