5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide

C14H21N7OS — CID 58464761

IUPAC5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2ncsc2N)c1N1CCC(CN)CC1
InChIInChI=1S/C14H21N7OS/c1-20-14(21-4-2-9(6-15)3-5-21)10(7-18-20)19-13(22)11-12(16)23-8-17-11/h7-9H,2-6,15-16H2,1H3,(H,19,22)
InChIKeyZWRSWEFKWSYBQO-UHFFFAOYSA-N
MW335.44 g/mol
LogP0.89
Rot. Bonds4

About 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide

5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 58464761) has the molecular formula C14H21N7OS and a molecular weight of 335.44 g/mol. Its IUPAC name is 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID58464761
Molecular FormulaC14H21N7OS
Molecular Weight335.44 g/mol
Exact Mass335.15
IUPAC Name5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2ncsc2N)c1N1CCC(CN)CC1
InChIInChI=1S/C14H21N7OS/c1-20-14(21-4-2-9(6-15)3-5-21)10(7-18-20)19-13(22)11-12(16)23-8-17-11/h7-9H,2-6,15-16H2,1H3,(H,19,22)
InChIKeyZWRSWEFKWSYBQO-UHFFFAOYSA-N
XLogP0.89
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 58464761) is 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2ncsc2N)c1N1CCC(CN)CC1.
What is the InChIKey of 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZWRSWEFKWSYBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7OS/c1-20-14(21-4-2-9(6-15)3-5-21)10(7-18-20)19-13(22)11-12(16)23-8-17-11/h7-9H,2-6,15-16H2,1H3,(H,19,22).
What are the key properties of 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 335.44 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-[4-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58464761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).