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4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine

C15H22N4S2 — CID 63917628

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)Cc2scnc2C)nc1C1CC1
InChIInChI=1S/C15H22N4S2/c1-4-16-7-12-14(11-5-6-11)18-15(21-12)19(3)8-13-10(2)17-9-20-13/h9,11,16H,4-8H2,1-3H3
InChIKeyHBQBLVNRWHKKSB-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.53
Rot. Bonds7

About 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine

4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 63917628) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
PubChem CID63917628
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)Cc2scnc2C)nc1C1CC1
InChIInChI=1S/C15H22N4S2/c1-4-16-7-12-14(11-5-6-11)18-15(21-12)19(3)8-13-10(2)17-9-20-13/h9,11,16H,4-8H2,1-3H3
InChIKeyHBQBLVNRWHKKSB-UHFFFAOYSA-N
XLogP3.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine (CID 63917628) is 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine is CCNCc1sc(N(C)Cc2scnc2C)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HBQBLVNRWHKKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-4-16-7-12-14(11-5-6-11)18-15(21-12)19(3)8-13-10(2)17-9-20-13/h9,11,16H,4-8H2,1-3H3.
What are the key properties of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine?
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 322.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63917628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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