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

C12H21N5OS — CID 103378417

IUPAC3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCN1CCCC(Nc2snc(N)c2C(=O)NC)C1
InChIInChI=1S/C12H21N5OS/c1-3-17-6-4-5-8(7-17)15-12-9(11(18)14-2)10(13)16-19-12/h8,15H,3-7H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyFQSLKVXDIKPRKL-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.98
Rot. Bonds4

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

3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103378417) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103378417
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCN1CCCC(Nc2snc(N)c2C(=O)NC)C1
InChIInChI=1S/C12H21N5OS/c1-3-17-6-4-5-8(7-17)15-12-9(11(18)14-2)10(13)16-19-12/h8,15H,3-7H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyFQSLKVXDIKPRKL-UHFFFAOYSA-N
XLogP0.98
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378414
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103379283
4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359375
3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide
CID 103378455
methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378458
3-amino-5-[(3,3-dimethylcyclopentyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103384518
3-amino-N-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carboxamide
CID 103380124
3-amino-N-methyl-5-[(2-methyloxan-4-yl)amino]-1,2-thiazole-4-carboxamide
CID 114110163
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378797
4-amino-N-(1-ethylpiperidin-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62688370

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103378417) is 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide is CCN1CCCC(Nc2snc(N)c2C(=O)NC)C1.
What is the InChIKey of 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is FQSLKVXDIKPRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-17-6-4-5-8(7-17)15-12-9(11(18)14-2)10(13)16-19-12/h8,15H,3-7H2,1-2H3,(H2,13,16)(H,14,18).
What are the key properties of 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).