3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide

C10H17N5OS — CID 103378455

IUPAC3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide
SMILESCN1CCCC(Nc2snc(N)c2C(N)=O)C1
InChIInChI=1S/C10H17N5OS/c1-15-4-2-3-6(5-15)13-10-7(9(12)16)8(11)14-17-10/h6,13H,2-5H2,1H3,(H2,11,14)(H2,12,16)
InChIKeyYDHQEQKBMFXJHK-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.33
Rot. Bonds3

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

3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103378455) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103378455
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide
SMILESCN1CCCC(Nc2snc(N)c2C(N)=O)C1
InChIInChI=1S/C10H17N5OS/c1-15-4-2-3-6(5-15)13-10-7(9(12)16)8(11)14-17-10/h6,13H,2-5H2,1H3,(H2,11,14)(H2,12,16)
InChIKeyYDHQEQKBMFXJHK-UHFFFAOYSA-N
XLogP0.33
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378458
5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359426
methyl 3-amino-5-[(1-ethylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378414
3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378417
3-amino-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103379283
methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate
CID 103384590
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide
CID 114090149
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103379243
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide (CID 103378455) is 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide is CN1CCCC(Nc2snc(N)c2C(N)=O)C1.
What is the InChIKey of 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is YDHQEQKBMFXJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-15-4-2-3-6(5-15)13-10-7(9(12)16)8(11)14-17-10/h6,13H,2-5H2,1H3,(H2,11,14)(H2,12,16).
What are the key properties of 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide?
3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 255.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).