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

C13H21N5OS — CID 103380880

IUPAC3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H21N5OS/c1-15-12(19)10-11(14)16-20-13(10)18-6-4-17(5-7-18)8-9-2-3-9/h9H,2-8H2,1H3,(H2,14,16)(H,15,19)
InChIKeyFCHYUDHQYWKBIU-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.62
Rot. Bonds4

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

3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103380880) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103380880
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H21N5OS/c1-15-12(19)10-11(14)16-20-13(10)18-6-4-17(5-7-18)8-9-2-3-9/h9H,2-8H2,1H3,(H2,14,16)(H,15,19)
InChIKeyFCHYUDHQYWKBIU-UHFFFAOYSA-N
XLogP0.62
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide (CID 103380880) is 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is FCHYUDHQYWKBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-15-12(19)10-11(14)16-20-13(10)18-6-4-17(5-7-18)8-9-2-3-9/h9H,2-8H2,1H3,(H2,14,16)(H,15,19).
What are the key properties of 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).