methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate

C16H16ClN3O3S — CID 47485169

IUPACmethyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCc2ccc(C(=O)NC3CC3)cc2)nc1Cl
InChIInChI=1S/C16H16ClN3O3S/c1-23-15(22)12-13(17)20-16(24-12)18-8-9-2-4-10(5-3-9)14(21)19-11-6-7-11/h2-5,11H,6-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyBZWPJDXSFBLOSD-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.09
Rot. Bonds6

About methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 47485169) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate
PubChem CID47485169
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Namemethyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCc2ccc(C(=O)NC3CC3)cc2)nc1Cl
InChIInChI=1S/C16H16ClN3O3S/c1-23-15(22)12-13(17)20-16(24-12)18-8-9-2-4-10(5-3-9)14(21)19-11-6-7-11/h2-5,11H,6-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyBZWPJDXSFBLOSD-UHFFFAOYSA-N
XLogP3.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-2-(furan-3-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 115620876
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
methyl 4-chloro-2-[(2-hydroxyphenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 103894493
methyl 4-chloro-2-[(3-cyanophenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 47370605
methyl 4-chloro-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 61372601
methyl 4-[4-(cyclopropylcarbamoyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate
CID 86616446
methyl 4-chloro-2-(oxan-4-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 62350309
methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate
CID 86616445
methyl 4-chloro-2-[(2-methylcyclopropyl)methylamino]-1,3-thiazole-5-carboxylate
CID 115885990
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate (CID 47485169) is methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCc2ccc(C(=O)NC3CC3)cc2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is BZWPJDXSFBLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-23-15(22)12-13(17)20-16(24-12)18-8-9-2-4-10(5-3-9)14(21)19-11-6-7-11/h2-5,11H,6-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 365.84 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47485169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).