N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide

C9H15N3OS — CID 81482463

IUPACN-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(C)(C)N
InChIInChI=1S/C9H15N3OS/c1-6-7(14-5-12-6)8(13)11-4-9(2,3)10/h5H,4,10H2,1-3H3,(H,11,13)
InChIKeyDEYCGIASSVPNEB-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.92
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 81482463) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID81482463
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(C)(C)N
InChIInChI=1S/C9H15N3OS/c1-6-7(14-5-12-6)8(13)11-4-9(2,3)10/h5H,4,10H2,1-3H3,(H,11,13)
InChIKeyDEYCGIASSVPNEB-UHFFFAOYSA-N
XLogP0.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168769
N-(2-amino-2-ethylbutyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119639748
N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61126703
4-methyl-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
CID 82723283
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107260883
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
N-[(4-aminophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60891064
3-methyl-2-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65215342
N-[[4-(aminomethyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81090222

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 81482463) is N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DEYCGIASSVPNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-7(14-5-12-6)8(13)11-4-9(2,3)10/h5H,4,10H2,1-3H3,(H,11,13).
What are the key properties of N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 81482463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).