4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole

C14H23N3S — CID 106043577

IUPAC4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCCNC(C3CC3)C2)cs1
InChIInChI=1S/C14H23N3S/c1-11-16-13(10-18-11)5-8-17-7-2-6-15-14(9-17)12-3-4-12/h10,12,14-15H,2-9H2,1H3
InChIKeyZNKXZDBXZOZJNN-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.07
Rot. Bonds4

About 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole

4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole (PubChem CID 106043577) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
PubChem CID106043577
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCCNC(C3CC3)C2)cs1
InChIInChI=1S/C14H23N3S/c1-11-16-13(10-18-11)5-8-17-7-2-6-15-14(9-17)12-3-4-12/h10,12,14-15H,2-9H2,1H3
InChIKeyZNKXZDBXZOZJNN-UHFFFAOYSA-N
XLogP2.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 106043488
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane
CID 64940736
4-[2-(6,10-diazaspiro[4.6]undecan-10-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043606
3-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185214
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 106042299
4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 64949220
2-methyl-4-[2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 124567986
3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421539

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole (CID 106043577) is 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCN2CCCNC(C3CC3)C2)cs1.
What is the InChIKey of 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole?
The InChIKey is ZNKXZDBXZOZJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11-16-13(10-18-11)5-8-17-7-2-6-15-14(9-17)12-3-4-12/h10,12,14-15H,2-9H2,1H3.
What are the key properties of 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole?
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 106043577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).