4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide

C15H19N3OS2 — CID 136515701

IUPAC4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncsc1C(=O)NCc1nc(C2CC2)cs1
InChIInChI=1S/C15H19N3OS2/c1-15(2,3)13-12(21-8-17-13)14(19)16-6-11-18-10(7-20-11)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,16,19)
InChIKeyWQDFBXJBWBULHO-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.70
Rot. Bonds4

About 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide

4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 136515701) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID136515701
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncsc1C(=O)NCc1nc(C2CC2)cs1
InChIInChI=1S/C15H19N3OS2/c1-15(2,3)13-12(21-8-17-13)14(19)16-6-11-18-10(7-20-11)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,16,19)
InChIKeyWQDFBXJBWBULHO-UHFFFAOYSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119897334
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016376
4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
(2S)-2-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-4-methylsulfanylbutanamide
CID 99815752
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99618785
4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide
CID 119897286
N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 121018813
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-ethylbutan-1-amine
CID 115757175
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897337
(2S)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081747
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 136515701) is 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncsc1C(=O)NCc1nc(C2CC2)cs1.
What is the InChIKey of 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WQDFBXJBWBULHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-15(2,3)13-12(21-8-17-13)14(19)16-6-11-18-10(7-20-11)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,16,19).
What are the key properties of 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136515701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).