N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide

C9H11IN2OS — CID 126821832

IUPACN-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1CC1)C(=O)c1csc(I)n1
InChIInChI=1S/C9H11IN2OS/c1-12(4-6-2-3-6)8(13)7-5-14-9(10)11-7/h5-6H,2-4H2,1H3
InChIKeyRVKOWZDMXCBNHR-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.23
Rot. Bonds3

About N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 126821832) has the molecular formula C9H11IN2OS and a molecular weight of 322.17 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID126821832
Molecular FormulaC9H11IN2OS
Molecular Weight322.17 g/mol
Exact Mass321.96
IUPAC NameN-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1CC1)C(=O)c1csc(I)n1
InChIInChI=1S/C9H11IN2OS/c1-12(4-6-2-3-6)8(13)7-5-14-9(10)11-7/h5-6H,2-4H2,1H3
InChIKeyRVKOWZDMXCBNHR-UHFFFAOYSA-N
XLogP2.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide (CID 126821832) is N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide is CN(CC1CC1)C(=O)c1csc(I)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RVKOWZDMXCBNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2OS/c1-12(4-6-2-3-6)8(13)7-5-14-9(10)11-7/h5-6H,2-4H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 322.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126821832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).