N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C18H23N5O2S — CID 90530121

IUPACN-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1
InChIInChI=1S/C18H23N5O2S/c1-11(2)19-16(24)22-17-21-14-8-9-23(10-15(14)26-17)18(25)20-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,25)(H2,19,21,22,24)
InChIKeyJVVVGSSFVADRIT-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.57
Rot. Bonds3

About N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90530121) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90530121
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1
InChIInChI=1S/C18H23N5O2S/c1-11(2)19-16(24)22-17-21-14-8-9-23(10-15(14)26-17)18(25)20-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,25)(H2,19,21,22,24)
InChIKeyJVVVGSSFVADRIT-UHFFFAOYSA-N
XLogP3.57
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530128
ethyl N-[5-[(4-methylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528142
2-(propan-2-ylcarbamoylamino)-N-prop-2-enyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530154
1-[5-(4-phenylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529859
2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90480656
2-(propan-2-ylcarbamoylamino)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788167
1-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529958
1-[5-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529942
methyl N-[5-[(4-tert-butylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529140
1-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529729
2-(cyclopentylcarbamoylamino)-N-(4-ethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90529624
1-[5-(3-phenylsulfanylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 71788164

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90530121) is N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is Cc1ccc(NC(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is JVVVGSSFVADRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-11(2)19-16(24)22-17-21-14-8-9-23(10-15(14)26-17)18(25)20-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,20,25)(H2,19,21,22,24).
What are the key properties of N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90530121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).