[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine

C15H26N4S — CID 62767415

IUPAC[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(N2CCN(C3CC3)CC2)sc1CN
InChIInChI=1S/C15H26N4S/c1-15(2,3)13-12(10-16)20-14(17-13)19-8-6-18(7-9-19)11-4-5-11/h11H,4-10,16H2,1-3H3
InChIKeyULMWQRXSVSYMSN-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.18
Rot. Bonds3

About [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62767415) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62767415
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(N2CCN(C3CC3)CC2)sc1CN
InChIInChI=1S/C15H26N4S/c1-15(2,3)13-12(10-16)20-14(17-13)19-8-6-18(7-9-19)11-4-5-11/h11H,4-10,16H2,1-3H3
InChIKeyULMWQRXSVSYMSN-UHFFFAOYSA-N
XLogP2.18
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767164
5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767314
4-tert-butyl-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767335
4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768001
4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768002
4-tert-butyl-N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768003
5-(aminomethyl)-4-tert-butyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768017
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768020
5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768021
5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768023
4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768175
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768176

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 62767415) is [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine is CC(C)(C)c1nc(N2CCN(C3CC3)CC2)sc1CN.
What is the InChIKey of [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ULMWQRXSVSYMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-15(2,3)13-12(10-16)20-14(17-13)19-8-6-18(7-9-19)11-4-5-11/h11H,4-10,16H2,1-3H3.
What are the key properties of [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.47 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62767415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).