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

C15H25N5OS — CID 91838511

IUPAC2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H25N5OS/c1-11-12(22-14(16)18-11)13(21)17-9-15(3-4-15)10-20-7-5-19(2)6-8-20/h3-10H2,1-2H3,(H2,16,18)(H,17,21)
InChIKeyZTEIARHJANFASG-UHFFFAOYSA-N
MW323.47 g/mol
LogP0.79
Rot. Bonds5

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

2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 91838511) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID91838511
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H25N5OS/c1-11-12(22-14(16)18-11)13(21)17-9-15(3-4-15)10-20-7-5-19(2)6-8-20/h3-10H2,1-2H3,(H2,16,18)(H,17,21)
InChIKeyZTEIARHJANFASG-UHFFFAOYSA-N
XLogP0.79
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide (CID 91838511) is 2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCC1(CN2CCN(C)CC2)CC1.
What is the InChIKey of 2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZTEIARHJANFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-11-12(22-14(16)18-11)13(21)17-9-15(3-4-15)10-20-7-5-19(2)6-8-20/h3-10H2,1-2H3,(H2,16,18)(H,17,21).
What are the key properties of 2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 323.47 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91838511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).