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

C13H14ClN7O2S — CID 58441099

IUPAC2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(C(N)=O)nc(Cl)n1)CC2
InChIInChI=1S/C13H14ClN7O2S/c1-16-12(23)20-13-18-6-2-3-21(5-8(6)24-13)9-4-7(10(15)22)17-11(14)19-9/h4H,2-3,5H2,1H3,(H2,15,22)(H2,16,18,20,23)
InChIKeyBHUUFDDTUQNGDN-UHFFFAOYSA-N
MW367.82 g/mol
LogP1.00
Rot. Bonds3

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

2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide (PubChem CID 58441099) has the molecular formula C13H14ClN7O2S and a molecular weight of 367.82 g/mol. Its IUPAC name is 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
PubChem CID58441099
Molecular FormulaC13H14ClN7O2S
Molecular Weight367.82 g/mol
Exact Mass367.06
IUPAC Name2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(C(N)=O)nc(Cl)n1)CC2
InChIInChI=1S/C13H14ClN7O2S/c1-16-12(23)20-13-18-6-2-3-21(5-8(6)24-13)9-4-7(10(15)22)17-11(14)19-9/h4H,2-3,5H2,1H3,(H2,15,22)(H2,16,18,20,23)
InChIKeyBHUUFDDTUQNGDN-UHFFFAOYSA-N
XLogP1.00
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide (CID 58441099) is 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide is CNC(=O)Nc1nc2c(s1)CN(c1cc(C(N)=O)nc(Cl)n1)CC2.
What is the InChIKey of 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide?
The InChIKey is BHUUFDDTUQNGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN7O2S/c1-16-12(23)20-13-18-6-2-3-21(5-8(6)24-13)9-4-7(10(15)22)17-11(14)19-9/h4H,2-3,5H2,1H3,(H2,15,22)(H2,16,18,20,23).
What are the key properties of 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide?
2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide has a molecular weight of 367.82 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 58441099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).