4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide

C14H18N4OS — CID 116673105

IUPAC4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCC(C)c2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-9(10-6-4-3-5-7-10)8-17-13(19)11-12(15)18-14(16-2)20-11/h3-7,9H,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDZJSQNZVLQYADK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.30
Rot. Bonds5

About 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116673105) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID116673105
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCC(C)c2ccccc2)s1
InChIInChI=1S/C14H18N4OS/c1-9(10-6-4-3-5-7-10)8-17-13(19)11-12(15)18-14(16-2)20-11/h3-7,9H,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDZJSQNZVLQYADK-UHFFFAOYSA-N
XLogP2.30
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazole-5-carboxamide
CID 102909085
4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 116665362
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-N-[2-(furan-2-yl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663748
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
CID 9089953
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 102909079
4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669286
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide (CID 116673105) is 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NCC(C)c2ccccc2)s1.
What is the InChIKey of 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DZJSQNZVLQYADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(10-6-4-3-5-7-10)8-17-13(19)11-12(15)18-14(16-2)20-11/h3-7,9H,8,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).