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

C16H29N3S — CID 63918356

IUPAC4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C(C)CC(C)C)nc1C1CC1
InChIInChI=1S/C16H29N3S/c1-6-17-10-14-15(13-7-8-13)18-16(20-14)19(5)12(4)9-11(2)3/h11-13,17H,6-10H2,1-5H3
InChIKeyCLWMKHBJZKCHHB-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.00
Rot. Bonds8

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

4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine (PubChem CID 63918356) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
PubChem CID63918356
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C(C)CC(C)C)nc1C1CC1
InChIInChI=1S/C16H29N3S/c1-6-17-10-14-15(13-7-8-13)18-16(20-14)19(5)12(4)9-11(2)3/h11-13,17H,6-10H2,1-5H3
InChIKeyCLWMKHBJZKCHHB-UHFFFAOYSA-N
XLogP4.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 63918125
[4-cyclopropyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 63915868
5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392937
N-butan-2-yl-4-cyclopropyl-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63917923
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-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115987992
N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63917342
4-cyclopropyl-5-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916243
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 63917164
4-cyclopropyl-N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63916185
4-cyclopropyl-N-(1-cyclopropylethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63915790

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine (CID 63918356) is 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine is CCNCc1sc(N(C)C(C)CC(C)C)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is CLWMKHBJZKCHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-17-10-14-15(13-7-8-13)18-16(20-14)19(5)12(4)9-11(2)3/h11-13,17H,6-10H2,1-5H3.
What are the key properties of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine?
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63918356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).