[5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate

C16H18N6O2S2 — CID 87442567

IUPAC[5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(NC(=O)Oc2nc(C)sc2Nc2cc(C3CC3)nn2C)n1
InChIInChI=1S/C16H18N6O2S2/c1-8-7-25-15(17-8)20-16(23)24-13-14(26-9(2)18-13)19-12-6-11(10-4-5-10)21-22(12)3/h6-7,10,19H,4-5H2,1-3H3,(H,17,20,23)
InChIKeyLQSJFCOGOBCDRW-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.18
Rot. Bonds5

About [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate

[5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 87442567) has the molecular formula C16H18N6O2S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name[5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID87442567
Molecular FormulaC16H18N6O2S2
Molecular Weight390.49 g/mol
Exact Mass390.09
IUPAC Name[5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(NC(=O)Oc2nc(C)sc2Nc2cc(C3CC3)nn2C)n1
InChIInChI=1S/C16H18N6O2S2/c1-8-7-25-15(17-8)20-16(23)24-13-14(26-9(2)18-13)19-12-6-11(10-4-5-10)21-22(12)3/h6-7,10,19H,4-5H2,1-3H3,(H,17,20,23)
InChIKeyLQSJFCOGOBCDRW-UHFFFAOYSA-N
XLogP4.18
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate (CID 87442567) is [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate is Cc1csc(NC(=O)Oc2nc(C)sc2Nc2cc(C3CC3)nn2C)n1.
What is the InChIKey of [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is LQSJFCOGOBCDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S2/c1-8-7-25-15(17-8)20-16(23)24-13-14(26-9(2)18-13)19-12-6-11(10-4-5-10)21-22(12)3/h6-7,10,19H,4-5H2,1-3H3,(H,17,20,23).
What are the key properties of [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
[5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 390.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 87442567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).