4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile

C14H20N4S — CID 82437863

IUPAC4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCN1CCN(CCc2nc(C3CC3)c(C#N)s2)CC1
InChIInChI=1S/C14H20N4S/c1-17-6-8-18(9-7-17)5-4-13-16-14(11-2-3-11)12(10-15)19-13/h11H,2-9H2,1H3
InChIKeyPHVQHLDATAXKSB-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.68
Rot. Bonds4

About 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile

4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82437863) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
PubChem CID82437863
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCN1CCN(CCc2nc(C3CC3)c(C#N)s2)CC1
InChIInChI=1S/C14H20N4S/c1-17-6-8-18(9-7-17)5-4-13-16-14(11-2-3-11)12(10-15)19-13/h11H,2-9H2,1H3
InChIKeyPHVQHLDATAXKSB-UHFFFAOYSA-N
XLogP1.68
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437848
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82227605
4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile
CID 82427633
2-[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile
CID 82437911
2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82425036
2-[2-(azepan-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427753
2-[2-(azepan-1-yl)ethyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435508
4-tert-butyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82439578
1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437849
1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82437884
4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436135
[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437914

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile (CID 82437863) is 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile is CN1CCN(CCc2nc(C3CC3)c(C#N)s2)CC1.
What is the InChIKey of 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is PHVQHLDATAXKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-17-6-8-18(9-7-17)5-4-13-16-14(11-2-3-11)12(10-15)19-13/h11H,2-9H2,1H3.
What are the key properties of 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile?
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 276.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82437863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).