N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide

C13H19N5OS — CID 56649132

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1nc(CN)cs1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)10-5-9(18(4)17-10)11(19)16-12-15-8(6-14)7-20-12/h5,7H,6,14H2,1-4H3,(H,15,16,19)
InChIKeyOOYNHFOPPZWWMV-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.89
Rot. Bonds3

About N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide (PubChem CID 56649132) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
PubChem CID56649132
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1nc(CN)cs1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)10-5-9(18(4)17-10)11(19)16-12-15-8(6-14)7-20-12/h5,7H,6,14H2,1-4H3,(H,15,16,19)
InChIKeyOOYNHFOPPZWWMV-UHFFFAOYSA-N
XLogP1.89
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 29049788
N-[4-(aminomethyl)thiazol-2-yl]-2-benzyl-5-tert-butyl-pyrazole-3-carboxamide
CID 56643478
1-benzyl-3-tert-butyl-N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649051
3-tert-butyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
CID 654029
5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid (6-methyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amide
CID 655874
N-benzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-1-prop-2-enylpyrazole-3-carboxamide
CID 46221179
N-[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 46942741
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 49786605
1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 56648967
N-[4-(acetamidomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 56649048
1-benzyl-3-tert-butyl-N-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649049
1-benzyl-3-tert-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649050

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide (CID 56649132) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)Nc1nc(CN)cs1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The InChIKey is OOYNHFOPPZWWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-13(2,3)10-5-9(18(4)17-10)11(19)16-12-15-8(6-14)7-20-12/h5,7H,6,14H2,1-4H3,(H,15,16,19).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 56649132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).