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

C14H16ClN7O2S — CID 58440808

IUPAC2-chloro-N-methyl-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(=O)NC)nc(Cl)n1)CC2
InChIInChI=1S/C14H16ClN7O2S/c1-16-11(23)8-5-10(20-12(15)18-8)22-4-3-7-9(6-22)25-14(19-7)21-13(24)17-2/h5H,3-4,6H2,1-2H3,(H,16,23)(H2,17,19,21,24)
InChIKeyMRMLHSSHWGHRNX-UHFFFAOYSA-N
MW381.85 g/mol
LogP1.26
Rot. Bonds3

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

2-chloro-N-methyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide (PubChem CID 58440808) has the molecular formula C14H16ClN7O2S and a molecular weight of 381.85 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
PubChem CID58440808
Molecular FormulaC14H16ClN7O2S
Molecular Weight381.85 g/mol
Exact Mass381.08
IUPAC Name2-chloro-N-methyl-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(=O)NC)nc(Cl)n1)CC2
InChIInChI=1S/C14H16ClN7O2S/c1-16-11(23)8-5-10(20-12(15)18-8)22-4-3-7-9(6-22)25-14(19-7)21-13(24)17-2/h5H,3-4,6H2,1-2H3,(H,16,23)(H2,17,19,21,24)
InChIKeyMRMLHSSHWGHRNX-UHFFFAOYSA-N
XLogP1.26
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.85
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-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-N-methyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide (CID 58440808) is 2-chloro-N-methyl-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-N-methyl-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-N-methyl-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(=O)NC)nc(Cl)n1)CC2.
What is the InChIKey of 2-chloro-N-methyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide?
The InChIKey is MRMLHSSHWGHRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN7O2S/c1-16-11(23)8-5-10(20-12(15)18-8)22-4-3-7-9(6-22)25-14(19-7)21-13(24)17-2/h5H,3-4,6H2,1-2H3,(H,16,23)(H2,17,19,21,24).
What are the key properties of 2-chloro-N-methyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide?
2-chloro-N-methyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide has a molecular weight of 381.85 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 58440808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).