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

C14H12ClN5O2S2 — CID 87441398

IUPAC[5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate
SMILESCc1nc(NC(=O)Oc2nc(C)sc2Nc2ccnc(Cl)c2)cs1
InChIInChI=1S/C14H12ClN5O2S2/c1-7-17-11(6-23-7)20-14(21)22-12-13(24-8(2)18-12)19-9-3-4-16-10(15)5-9/h3-6H,1-2H3,(H,16,19)(H,20,21)
InChIKeyDPLBPSZUIYXNOK-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.62
Rot. Bonds4

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

[5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate (PubChem CID 87441398) has the molecular formula C14H12ClN5O2S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is [5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate.

Molecular Properties

Compound Name[5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate
PubChem CID87441398
Molecular FormulaC14H12ClN5O2S2
Molecular Weight381.87 g/mol
Exact Mass381.01
IUPAC Name[5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate
SMILESCc1nc(NC(=O)Oc2nc(C)sc2Nc2ccnc(Cl)c2)cs1
InChIInChI=1S/C14H12ClN5O2S2/c1-7-17-11(6-23-7)20-14(21)22-12-13(24-8(2)18-12)19-9-3-4-16-10(15)5-9/h3-6H,1-2H3,(H,16,19)(H,20,21)
InChIKeyDPLBPSZUIYXNOK-UHFFFAOYSA-N
XLogP4.62
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazol-4-yl] N-(5-fluoro-2-pyridinyl)carbamate
CID 68405925
[2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazol-4-yl] N-(3-chloro-4-fluorophenyl)carbamate
CID 68406337
[5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-4-pyridinyl)carbamate
CID 68406933
[5-[(5-chloro-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(5-fluoro-2-pyridinyl)carbamate
CID 68407020
[2-methyl-5-[(2-methyl-4-pyridinyl)amino]-1,3-thiazol-4-yl] N-(5-fluoro-2-pyridinyl)carbamate
CID 68407201
[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[6-(fluoromethyl)-2-pyridinyl]carbamate
CID 68407417
[5-[(5-fluoro-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate
CID 68407423
[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-(5-fluoro-2-pyridinyl)carbamate
CID 68407519
[5-[(5-fluoro-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(5-fluoro-2-pyridinyl)carbamate
CID 68408265
[5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate
CID 87440928
[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 87441440
[5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 87441472

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate?
The IUPAC name of [5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate (CID 87441398) is [5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate.
What is the SMILES notation for [5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate?
The canonical SMILES for [5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate is Cc1nc(NC(=O)Oc2nc(C)sc2Nc2ccnc(Cl)c2)cs1.
What is the InChIKey of [5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate?
The InChIKey is DPLBPSZUIYXNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S2/c1-7-17-11(6-23-7)20-14(21)22-12-13(24-8(2)18-12)19-9-3-4-16-10(15)5-9/h3-6H,1-2H3,(H,16,19)(H,20,21).
What are the key properties of [5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate?
[5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate has a molecular weight of 381.87 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-4-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(2-methyl-1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 87441398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).