N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C14H20N4OS2 — CID 72920355

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C14H20N4OS2/c1-8(2)13-17-9(3)11(21-13)12(19)16-6-4-5-10-7-20-14(15)18-10/h7-8H,4-6H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeySMQZCMKSLOOCGL-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.98
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 72920355) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID72920355
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C14H20N4OS2/c1-8(2)13-17-9(3)11(21-13)12(19)16-6-4-5-10-7-20-14(15)18-10/h7-8H,4-6H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeySMQZCMKSLOOCGL-UHFFFAOYSA-N
XLogP2.98
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(3-phenylsulfanylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46453331
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(2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride
CID 154902774
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72837310
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-chloro-1-methylpyrazole-3-carboxamide
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CID 163340668
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide
CID 91777823
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 72920355) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCCCc1csc(N)n1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SMQZCMKSLOOCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-8(2)13-17-9(3)11(21-13)12(19)16-6-4-5-10-7-20-14(15)18-10/h7-8H,4-6H2,1-3H3,(H2,15,18)(H,16,19).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 324.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72920355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).