4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C12H20N4O2S — CID 116668901

IUPAC4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C12H20N4O2S/c1-2-5-14-12-16-10(13)9(19-12)11(17)15-7-8-4-3-6-18-8/h8H,2-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyZPRKMKUUWNTBIN-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.46
Rot. Bonds6

About 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668901) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668901
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C12H20N4O2S/c1-2-5-14-12-16-10(13)9(19-12)11(17)15-7-8-4-3-6-18-8/h8H,2-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyZPRKMKUUWNTBIN-UHFFFAOYSA-N
XLogP1.46
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(oxolan-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664626
4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668887
4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665988
4-amino-N-[(3-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 106138867
4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663544
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 95394528
4-amino-2-(2-methoxyethylamino)-N-(oxan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116664744
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668889
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116668901) is 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NCC2CCCO2)s1.
What is the InChIKey of 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ZPRKMKUUWNTBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-5-14-12-16-10(13)9(19-12)11(17)15-7-8-4-3-6-18-8/h8H,2-7,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).