N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide

C10H11IN4OS — CID 19476253

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2c(I)cnn2C)sc1C
InChIInChI=1S/C10H11IN4OS/c1-5-6(2)17-10(13-5)14-9(16)8-7(11)4-12-15(8)3/h4H,1-3H3,(H,13,14,16)
InChIKeyMCDHWCYNRPHVPZ-UHFFFAOYSA-N
MW362.20 g/mol
LogP2.35
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide (PubChem CID 19476253) has the molecular formula C10H11IN4OS and a molecular weight of 362.20 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide
PubChem CID19476253
Molecular FormulaC10H11IN4OS
Molecular Weight362.20 g/mol
Exact Mass361.97
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2c(I)cnn2C)sc1C
InChIInChI=1S/C10H11IN4OS/c1-5-6(2)17-10(13-5)14-9(16)8-7(11)4-12-15(8)3/h4H,1-3H3,(H,13,14,16)
InChIKeyMCDHWCYNRPHVPZ-UHFFFAOYSA-N
XLogP2.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide (CID 19476253) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide is Cc1nc(NC(=O)c2c(I)cnn2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide?
The InChIKey is MCDHWCYNRPHVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4OS/c1-5-6(2)17-10(13-5)14-9(16)8-7(11)4-12-15(8)3/h4H,1-3H3,(H,13,14,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide has a molecular weight of 362.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-iodo-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19476253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).