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

C15H22N4S2 — CID 63917628

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

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

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Related Compounds

4-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917550
N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63916947
4-cyclopropyl-5-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916243
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 63918125
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 63918356
[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393653
N-butan-2-yl-4-cyclopropyl-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63917923
2-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63836968
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
CID 63837144
4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 63917766
4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 63916975
4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917935

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).