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

C13H19N5OS2 — CID 103384097

IUPAC3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide
SMILESCc1nc(-c2c(N)nsc2NCCC(=O)NC(C)C)cs1
InChIInChI=1S/C13H19N5OS2/c1-7(2)16-10(19)4-5-15-13-11(12(14)18-21-13)9-6-20-8(3)17-9/h6-7,15H,4-5H2,1-3H3,(H2,14,18)(H,16,19)
InChIKeyAQGHSUKVASBZFY-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.48
Rot. Bonds6

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

3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide (PubChem CID 103384097) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide
PubChem CID103384097
Molecular FormulaC13H19N5OS2
Molecular Weight325.46 g/mol
Exact Mass325.10
IUPAC Name3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide
SMILESCc1nc(-c2c(N)nsc2NCCC(=O)NC(C)C)cs1
InChIInChI=1S/C13H19N5OS2/c1-7(2)16-10(19)4-5-15-13-11(12(14)18-21-13)9-6-20-8(3)17-9/h6-7,15H,4-5H2,1-3H3,(H2,14,18)(H,16,19)
InChIKeyAQGHSUKVASBZFY-UHFFFAOYSA-N
XLogP2.48
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]pentan-2-ol
CID 106138945
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
CID 106174670
5-N-[2-(3-methylbutoxy)ethyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379335
4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol
CID 106249139
5-N-(cyclopentylmethyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382835
5-N-(4-methoxybutan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378757
5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378654
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
5-N-(3-imidazol-1-ylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382750
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382912
5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103383828
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103384525

Frequently Asked Questions

What is the IUPAC name of 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide (CID 103384097) is 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide is Cc1nc(-c2c(N)nsc2NCCC(=O)NC(C)C)cs1.
What is the InChIKey of 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide?
The InChIKey is AQGHSUKVASBZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-7(2)16-10(19)4-5-15-13-11(12(14)18-21-13)9-6-20-8(3)17-9/h6-7,15H,4-5H2,1-3H3,(H2,14,18)(H,16,19).
What are the key properties of 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide?
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide has a molecular weight of 325.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 103384097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).