4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

C11H11IN4OS — CID 116669239

IUPAC4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C11H11IN4OS/c1-14-11-16-9(13)8(18-11)10(17)15-7-4-2-6(12)3-5-7/h2-5H,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyDITOMTPWQDYNQN-UHFFFAOYSA-N
MW374.21 g/mol
LogP2.62
Rot. Bonds3

About 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116669239) has the molecular formula C11H11IN4OS and a molecular weight of 374.21 g/mol. Its IUPAC name is 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116669239
Molecular FormulaC11H11IN4OS
Molecular Weight374.21 g/mol
Exact Mass373.97
IUPAC Name4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccc(I)cc2)s1
InChIInChI=1S/C11H11IN4OS/c1-14-11-16-9(13)8(18-11)10(17)15-7-4-2-6(12)3-5-7/h2-5H,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyDITOMTPWQDYNQN-UHFFFAOYSA-N
XLogP2.62
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-chloro-4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107605093
4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 116671061
4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673325
4-amino-2-(methylamino)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665575
4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669238
4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143
4-amino-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 114841246
4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671420
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107371265
4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668043

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116669239) is 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)Nc2ccc(I)cc2)s1.
What is the InChIKey of 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is DITOMTPWQDYNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4OS/c1-14-11-16-9(13)8(18-11)10(17)15-7-4-2-6(12)3-5-7/h2-5H,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 374.21 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).