2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C21H29N5O3S — CID 42876723

IUPAC2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1)NCc1ccco1
InChIInChI=1S/C21H29N5O3S/c27-19(22-13-17-7-4-12-29-17)14-25-8-10-26(11-9-25)20(28)18-15-30-21(24-18)23-16-5-2-1-3-6-16/h4,7,12,15-16H,1-3,5-6,8-11,13-14H2,(H,22,27)(H,23,24)
InChIKeyVVADJFACTLBNHK-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.55
Rot. Bonds7

About 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 42876723) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID42876723
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1)NCc1ccco1
InChIInChI=1S/C21H29N5O3S/c27-19(22-13-17-7-4-12-29-17)14-25-8-10-26(11-9-25)20(28)18-15-30-21(24-18)23-16-5-2-1-3-6-16/h4,7,12,15-16H,1-3,5-6,8-11,13-14H2,(H,22,27)(H,23,24)
InChIKeyVVADJFACTLBNHK-UHFFFAOYSA-N
XLogP2.55
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide
CID 42876740
2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 42876966
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158390
N-(furan-2-ylmethyl)-1-[2-(4-nitroanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 46136405
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 42876723) is 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1)NCc1ccco1.
What is the InChIKey of 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VVADJFACTLBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c27-19(22-13-17-7-4-12-29-17)14-25-8-10-26(11-9-25)20(28)18-15-30-21(24-18)23-16-5-2-1-3-6-16/h4,7,12,15-16H,1-3,5-6,8-11,13-14H2,(H,22,27)(H,23,24).
What are the key properties of 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 431.56 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 42876723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).