N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide

C12H21N3OS — CID 82342366

IUPACN-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(C(C)(C)C)c(N)s1
InChIInChI=1S/C12H21N3OS/c1-5-6-7-8(16)14-11-15-9(10(13)17-11)12(2,3)4/h5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyNVRXBRQWGONXRW-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.15
Rot. Bonds4

About N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide

N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 82342366) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide
PubChem CID82342366
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(C(C)(C)C)c(N)s1
InChIInChI=1S/C12H21N3OS/c1-5-6-7-8(16)14-11-15-9(10(13)17-11)12(2,3)4/h5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyNVRXBRQWGONXRW-UHFFFAOYSA-N
XLogP3.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 82342385
ethyl 2-(pentanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560761
N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide
CID 82342659
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 154106972
N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
CID 114754330
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 58719647
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
3-[4-methyl-2-(pentanoylamino)-1,3-thiazol-5-yl]propanoic acid
CID 82058784
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide (CID 82342366) is N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide is CCCCC(=O)Nc1nc(C(C)(C)C)c(N)s1.
What is the InChIKey of N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is NVRXBRQWGONXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-6-7-8(16)14-11-15-9(10(13)17-11)12(2,3)4/h5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide?
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 255.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 82342366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).