4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde

C15H21N3OS — CID 63916215

IUPAC4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCN(CC3CC3)CC2)nc1C1CC1
InChIInChI=1S/C15H21N3OS/c19-10-13-14(12-3-4-12)16-15(20-13)18-7-5-17(6-8-18)9-11-1-2-11/h10-12H,1-9H2
InChIKeyOHBFZHXMTFROQS-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.37
Rot. Bonds5

About 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde

4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde (PubChem CID 63916215) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
PubChem CID63916215
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCN(CC3CC3)CC2)nc1C1CC1
InChIInChI=1S/C15H21N3OS/c19-10-13-14(12-3-4-12)16-15(20-13)18-7-5-17(6-8-18)9-11-1-2-11/h10-12H,1-9H2
InChIKeyOHBFZHXMTFROQS-UHFFFAOYSA-N
XLogP2.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63915806
4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63915627
1-[4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63915838
4-cyclopropyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63917951
(E)-3-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82438079
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
(E)-3-[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82438064
2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750372
5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133334882
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62780311
4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62766111
4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687435

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde (CID 63916215) is 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde is O=Cc1sc(N2CCN(CC3CC3)CC2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is OHBFZHXMTFROQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c19-10-13-14(12-3-4-12)16-15(20-13)18-7-5-17(6-8-18)9-11-1-2-11/h10-12H,1-9H2.
What are the key properties of 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 291.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63916215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).